Vitas-M small molecule compound
ethyl (2E)-5-(4-chlorophenyl)-2-{[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylidene}-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK326072
SMILES CCOC(=O)C1=C(N=c2n(C1c1ccc(cc1)Cl)c(=O)/c(=C\c1ccc(o1)c1cccc(c1C)[N+](=O)[O-])/s2)c1ccccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C33H24ClN3O6S MW 626.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H24ClN3O6S/c1-3-42-32(39)28-29(20-8-5-4-6-9-20)35-33-36(30(28)21-12-14-22(34)15-13-21)31(38)27(44-33)18-23-16-17-26(43-23)24-10-7-11-25(19(24)2)37(40)41/h4-18,30H,3H2,1-2H3/b27-18+InChIKey
GZVATDIWKDMFSO-OVVQPSECSA-NSynonyms
CCOC(=O)C1=C(N=c2n(C1c1ccc(cc1)Cl)c(=O)c(=Cc1ccc(o1)c1cccc(c1C)(N+)(=O)(O))s2)c1ccccc1
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Cl)C(=O)C(=CC4=CC=C(O4)C5=C(C(=CC=C5)(N+)(=O)(O))C)S2)C6=CC=CC=C6
ethyl(2E)5(4chlorophenyl)2((5(2methyl3nitrophenyl)furan2yl)methylidene)3oxo7phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(4chlorophenyl)2((5(2methyl3nitrophenyl)furan2yl)methylidene)3oxo7phenyl5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC33H24ClN3O6Sc134232(39)2829(208546920)353336(30(28)21121422(34)151321)31(38)27(4433)1823161726(4323)241071125(19(24)2)37(40)41h41830H3H212H3b2718+
MFCD05149804
ZINC000150487304
ZINC000150487311
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